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Home > Other Heterocycles > 101931-80-0
101931-80-0 | 3-Pentynoic acid, 2-hydroxy-2-(1-propyn-1-yl)-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 101931-80-0 Catalog No: AG0005ZZ MDL No:
Product Description
Catalog Number:
AG0005ZZ
Chemical Name:
3-Pentynoic acid, 2-hydroxy-2-(1-propyn-1-yl)-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
101931-80-0
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-prop-1-ynylpent-3-ynoate
InChI:
InChI=1S/C15H19NO3/c1-3-7-15(18,8-4-2)14(17)19-13-11-16-9-5-12(13)6-10-16/h12-13,18H,5-6,9-11H2,1-2H3
InChI Key:
PSNXEMLZSUPRKP-UHFFFAOYSA-N
SMILES:
CC#CC(C(=O)OC1CN2CCC1CC2)(C#CC)O
NSC Number:
665784
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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